3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid

C15H18N2O3 — CID 103258774

IUPAC3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
SMILESCOCC(NCCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-20-10-13(15(18)19)16-9-7-12-5-2-4-11-6-3-8-17-14(11)12/h2-6,8,13,16H,7,9-10H2,1H3,(H,18,19)
InChIKeyKAHZOFGAJHOGLH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.47
Rot. Bonds7

About 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid

3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid (PubChem CID 103258774) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
PubChem CID103258774
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
SMILESCOCC(NCCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-20-10-13(15(18)19)16-9-7-12-5-2-4-11-6-3-8-17-14(11)12/h2-6,8,13,16H,7,9-10H2,1H3,(H,18,19)
InChIKeyKAHZOFGAJHOGLH-UHFFFAOYSA-N
XLogP1.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
N-methyl-2-quinolin-8-ylethanamine
CID 62549686

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid (CID 103258774) is 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid is COCC(NCCc1cccc2cccnc12)C(=O)O.
What is the InChIKey of 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid?
The InChIKey is KAHZOFGAJHOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-10-13(15(18)19)16-9-7-12-5-2-4-11-6-3-8-17-14(11)12/h2-6,8,13,16H,7,9-10H2,1H3,(H,18,19).
What are the key properties of 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid?
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid is sourced from PubChem (CID 103258774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).